calcium;1-methoxyethanolate;hydroxide

C3H8CaO3 — CID 88783593

IUPACcalcium;1-methoxyethanolate;hydroxide
SMILESCOC(C)[O-].[Ca+2].[OH-]
InChIInChI=1S/C3H7O2.Ca.H2O/c1-3(4)5-2;;/h3H,1-2H3;;1H2/q-1;+2;/p-1
InChIKeyCLPMSIOVYXTMEJ-UHFFFAOYSA-M
MW132.17 g/mol
LogP-1.22
Rot. Bonds1

About calcium;1-methoxyethanolate;hydroxide

calcium;1-methoxyethanolate;hydroxide (PubChem CID 88783593) has the molecular formula C3H8CaO3 and a molecular weight of 132.17 g/mol. Its IUPAC name is calcium;1-methoxyethanolate;hydroxide.

Molecular Properties

Compound Namecalcium;1-methoxyethanolate;hydroxide
PubChem CID88783593
Molecular FormulaC3H8CaO3
Molecular Weight132.17 g/mol
Exact Mass132.01
IUPAC Namecalcium;1-methoxyethanolate;hydroxide
SMILESCOC(C)[O-].[Ca+2].[OH-]
InChIInChI=1S/C3H7O2.Ca.H2O/c1-3(4)5-2;;/h3H,1-2H3;;1H2/q-1;+2;/p-1
InChIKeyCLPMSIOVYXTMEJ-UHFFFAOYSA-M
XLogP-1.22
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of calcium;1-methoxyethanolate;hydroxide?
The IUPAC name of calcium;1-methoxyethanolate;hydroxide (CID 88783593) is calcium;1-methoxyethanolate;hydroxide.
What is the SMILES notation for calcium;1-methoxyethanolate;hydroxide?
The canonical SMILES for calcium;1-methoxyethanolate;hydroxide is COC(C)[O-].[Ca+2].[OH-].
What is the InChIKey of calcium;1-methoxyethanolate;hydroxide?
The InChIKey is CLPMSIOVYXTMEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O2.Ca.H2O/c1-3(4)5-2;;/h3H,1-2H3;;1H2/q-1;+2;/p-1.
What are the key properties of calcium;1-methoxyethanolate;hydroxide?
calcium;1-methoxyethanolate;hydroxide has a molecular weight of 132.17 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1-methoxyethanolate;hydroxide is sourced from PubChem (CID 88783593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).